Input 03-magnetic.05-gs-spinors.inp
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.590000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | -2.699910000000000e-01 | -2.699910000000000e-01 | 1.350000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 2 | -2.230860000000000e-01 | -2.230860000000000e-01 | 1.120000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 | -7.779600000000000e-02 | -7.779600000000000e-02 | 3.890000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 4 | -6.888000000000000e-02 | -6.888000000000000e-02 | 3.440000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 5 | -6.888000000000000e-02 | -6.888000000000000e-02 | 3.440000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total energy | -1.927100620000000e+00 | -1.927100620000000e+00 | 9.640000000000000e-08 | -2.220446049250313e-16 | PASS |
| Free energy | -1.944600390000000e+00 | -1.944600390000000e+00 | 9.720000000000000e-08 | 0.000000000000000e+00 | PASS |
| Fermi energy | -7.667700000000000e-02 | -7.667700000000000e-02 | 3.830000000000000e-05 | 0.000000000000000e+00 | PASS |